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CHEBI:220709 - Hexylitaconic acid A

ChEBI IDCHEBI:220709
ChEBI NameHexylitaconic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H16O3
Net Charge0
Average Mass196.246
Monoisotopic Mass196.10994
SMILESCCCCCCC1=C(C)C(=O)OC1=O
InChIInChI=1S/C11H16O3/c1-3-4-5-6-7-9-8(2)10(12)14-11(9)13/h3-7H2,1-2H3
InChIKeySAYHBWSPMUSNEJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (32695080)
ChEBI Ontology
Outgoing Relation(s)
Hexylitaconic acid A (CHEBI:220709) is a butenolide (CHEBI:50523)
IUPAC Name 
3-hexyl-4-methyluran-2,5-dione
Manual XrefsDatabases
9302304ChemSpider